1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate
TL;DR: 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate (CAS 133476-07-0) is a chemical compound with molecular formula C4H6N3O2- and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-5-oxo-1,2,4-triazol-3-olate
Also Known As: 1,4-dimethyl-5-oxo-1,2,4-triazol-3-olate, 1,4-Dimethyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-olate
| Molecular Formula | C4H6N3O2- |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.046 |
| Heavy Atoms | 9 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 133476-07-0 |
|---|---|
| SMILES | CN1C(=NN(C1=O)C)[O-] |
| InChIKey | NWNNZPUYFSACQS-UHFFFAOYSA-M |
Product Overview
1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate (CAS 133476-07-0), with molecular formula C4H6N3O2- and molecular weight 128.05 g/mol. IUPAC: 1,4-dimethyl-5-oxo-1,2,4-triazol-3-olate.
Chemical Property Profile of 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate
Property Insights of 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate. With a topological polar surface area (TPSA) of 59.0 Ų, 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate?
The CAS number of 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate is 133476-07-0.
What is the molecular formula of 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate?
The molecular formula of 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate is C4H6N3O2-.
What is the molecular weight of 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate?
The molecular weight of 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate is 128.05 g/mol.
Where can I buy 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate?
You can request a quote for 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-5-oxo-1,2,4-triazol-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.